3,5-dibromopyridin-4-ol

• ChemBase ID: 54050
• Molecular Formular: C5H3Br2NO
• Molecular Mass: 252.89142
• Monoisotopic Mass: 250.85813772
• SMILES: c1(cncc(c1O)Br)Br
• Canonical SMILES: Brc1cncc(c1O)Br
• InChI: InChI=1S/C5H3Br2NO/c6-3-1-8-2-4(7)5(3)9/h1-2H,(H,8,9)
• InChIKey: MXBBVOSRBZCCOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dibromopyridin-4-ol
• IUPAC Traditional name: 3,5-dibromopyridin-4-ol
• Synonyms: 3,5-Dibromopyridin-4-ol; 3,5-Dibromo-pyridin-4-ol

Database IDs

• CAS Number: 25813-25-6
• MDL Number: MFCD00082969
• PubChem SID: 162058813
• PubChem CID: 99252

CALCULATED PROPERTIES

• Acid pKa: 7.3246684
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9832036
• LogD (pH = 7.4): 1.6608723
• Log P: 1.9895133
• Molar Refractivity: 41.1276 cm^3
• Polarizability: 16.182978 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%